Physical Sciences and Mathematics Commons^™

Stability And Spectroscopic Properties Of Negative Ions, Swayamprabha Behera

Theses and Dissertations

Negative ions play an important role in chemistry as building blocks of salts and oxidizing agents. Halogen atoms, due to their ability to attract electrons, readily form negative ions. Considerable interest exists in the design and synthesis of new negative ions called superhaogens whose electron affinities are much higher than those of halogen atoms. This thesis deals with the design of such species. Using density functional theory I have studied two classes of superhalogens. First one involves d1 transition metal (Sc, Y, La) atoms surrounded by Cl while the second one involves simple metals (Na, Mg, Al) surrounded by pseudohalogens …